SCHEMBL19930459

SCHEMBL19930459

NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc4nccn4n3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 20/20 0.54
▸ CA1 P00915 20/20 0.54
▸ CA2 P00918 20/20 0.54
▸ CA7 P43166 20/20 0.54
▸ CA9 Q16790 20/20 0.54
▸ CA14 Q9ULX7 17/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19930456 0.86 ALDH1A1 (0.44) —
SCHEMBL19930462 0.86 ALDH1A1 (0.64) —
SCHEMBL19930448 0.85 SLC6A7 (0.55) —
SCHEMBL19930458 0.84 SLC6A7 (0.54) —
SCHEMBL18126696 0.83 CTSS (0.55) CA12CA1CA2CA7CA9
SCHEMBL19930445 0.78 ALDH1A1 (0.65) CA12CA1CA2CA7CA9
SCHEMBL19930449 0.77 DPP4 (0.49) —
SCHEMBL14493373 0.76 CA12 (0.87) CA12CA1CA2CA7CA9
SCHEMBL19930446 0.74 HSD17B10 (0.63) CA12CA1CA2CA7CA9
SCHEMBL19930457 0.72 HSD17B10 (0.62) —

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180064711-A1 METHODS FOR TREATING CRYPTOSPORIDIOSIS USING TRIAZOLOPYRIDAZINES UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE 2018-03-08 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180064711-A1 METHODS FOR TREATING CRYPTOSPORIDIOSIS USING TRIAZOLOPYRIDAZINES CLPP, SI, SAMHD1 CA12 1536/4885CA1 491/4885CA2 393/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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